N-(2,5-dimethoxyphenyl)prop-2-enamide

C11H13NO3 — CID 881958

IUPACN-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C11H13NO3/c1-4-11(13)12-9-7-8(14-2)5-6-10(9)15-3/h4-7H,1H2,2-3H3,(H,12,13)
InChIKeyBMHRZYRYDQEWTC-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.83
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)prop-2-enamide

N-(2,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 881958) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)prop-2-enamide
PubChem CID881958
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C11H13NO3/c1-4-11(13)12-9-7-8(14-2)5-6-10(9)15-3/h4-7H,1H2,2-3H3,(H,12,13)
InChIKeyBMHRZYRYDQEWTC-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide
CID 144945508
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)prop-2-enamide (CID 881958) is N-(2,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)prop-2-enamide is C=CC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is BMHRZYRYDQEWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-4-11(13)12-9-7-8(14-2)5-6-10(9)15-3/h4-7H,1H2,2-3H3,(H,12,13).
What are the key properties of N-(2,5-dimethoxyphenyl)prop-2-enamide?
N-(2,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 881958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).